Molecule card · MolClass #40926
7969968
7969968: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7969968Mitochondrial Fusion · compound_name
- MolClass ID
- 40926
- InChIKey
- CYTZPNCHOLYYRN-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)C=C(NC(=O)c1cccs1)N(C)C2(=O)
- Standard InChI
- InChI=1S/C11H11N3O3S/c1-13-8(6-9(15)14(2)11(13)17)12-10(16)7-4-3-5-18-7/h3-6H,1-2H3,(H,12,16)
- Stored Murcko scaffold
- n1cnc(cc1)N[CH]c2sccc2
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
- 47194853#32345
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.96 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.29 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.066
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 7969968